USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 469 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1015 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A1016 LYS NZ :NH3+ -161:sc= -2.29! (180deg=-2.78!) USER MOD Set 2.1: A 999 HIS : no HD1:sc= -0.0217 K(o=0.013,f=-1) USER MOD Set 2.2: A1001 SER OG : rot -79:sc= 0.0345 USER MOD Set 3.1: A 975 HIS : no HD1:sc= -0.252 X(o=-0.25,f=0) USER MOD Set 3.2: A 987 THR OG1 : rot 180:sc= 0 USER MOD Single : A 962 SER OG : rot 76:sc= 0.224 USER MOD Single : A 964 LYS NZ :NH3+ 164:sc= -0.056 (180deg=-0.335) USER MOD Single : A 965 THR OG1 : rot 18:sc= 0.3 USER MOD Single : A 971 ASN : amide:sc= -0.0875 K(o=-0.087,f=-0.73) USER MOD Single : A 973 MET CE :methyl -160:sc= -0.15 (180deg=-0.736) USER MOD Single : A 978 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 981 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.31) USER MOD Single : A 984 SER OG : rot -140:sc= -0.134 USER MOD Single : A 988 TYR OH : rot 120:sc= -1.79! USER MOD Single : A 989 SER OG : rot 180:sc= -0.0766 USER MOD Single : A 991 THR OG1 : rot 180:sc= 0.235 USER MOD Single : A 992 THR OG1 : rot 180:sc= 0 USER MOD Single : A 994 HIS : no HD1:sc= -8.43! C(o=-8.4!,f=-9.9!) USER MOD Single : A1000 SER OG : rot 180:sc= 0 USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1009 ASN : amide:sc= -0.274 K(o=-0.27,f=-1.2) USER MOD Single : A1010 THR OG1 : rot 180:sc= -0.0505 USER MOD Single : A1012 HIS : no HE2:sc= 0.293 K(o=0.29,f=-1.3) USER MOD Single : A1014 SER OG : rot -49:sc= 0.911 USER MOD Single : A1021 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 962 13.487 4.600 -2.322 1.00 0.00 N ATOM 76 CA SER A 962 12.128 4.916 -2.757 1.00 0.00 C ATOM 77 C SER A 962 11.440 3.687 -3.344 1.00 0.00 C ATOM 78 O SER A 962 11.881 3.134 -4.352 1.00 0.00 O ATOM 79 CB SER A 962 12.142 6.050 -3.785 1.00 0.00 C ATOM 80 OG SER A 962 10.831 6.362 -4.220 1.00 0.00 O ATOM 0 HA SER A 962 11.565 5.240 -1.882 1.00 0.00 H new ATOM 0 HB2 SER A 962 12.603 6.935 -3.348 1.00 0.00 H new ATOM 0 HB3 SER A 962 12.753 5.762 -4.640 1.00 0.00 H new ATOM 0 HG SER A 962 10.371 6.879 -3.526 1.00 0.00 H new ATOM 86 N CYS A 963 10.358 3.260 -2.698 1.00 0.00 N ATOM 87 CA CYS A 963 9.630 2.069 -3.124 1.00 0.00 C ATOM 88 C CYS A 963 8.782 2.355 -4.358 1.00 0.00 C ATOM 89 O CYS A 963 8.571 3.511 -4.725 1.00 0.00 O ATOM 90 CB CYS A 963 8.736 1.562 -1.991 1.00 0.00 C ATOM 91 SG CYS A 963 9.647 1.023 -0.508 1.00 0.00 S ATOM 0 H CYS A 963 9.966 3.722 -1.877 1.00 0.00 H new ATOM 0 HA CYS A 963 10.362 1.302 -3.378 1.00 0.00 H new ATOM 0 HB2 CYS A 963 8.041 2.353 -1.710 1.00 0.00 H new ATOM 0 HB3 CYS A 963 8.138 0.729 -2.360 1.00 0.00 H new ATOM 96 N LYS A 964 8.278 1.293 -4.976 1.00 0.00 N ATOM 97 CA LYS A 964 7.325 1.426 -6.071 1.00 0.00 C ATOM 98 C LYS A 964 5.942 1.776 -5.535 1.00 0.00 C ATOM 99 O LYS A 964 5.791 2.123 -4.364 1.00 0.00 O ATOM 100 CB LYS A 964 7.261 0.127 -6.878 1.00 0.00 C ATOM 101 CG LYS A 964 8.591 -0.268 -7.502 1.00 0.00 C ATOM 102 CD LYS A 964 8.480 -1.568 -8.283 1.00 0.00 C ATOM 103 CE LYS A 964 7.565 -1.421 -9.490 1.00 0.00 C ATOM 104 NZ LYS A 964 8.057 -0.386 -10.440 1.00 0.00 N ATOM 0 H LYS A 964 8.514 0.330 -4.737 1.00 0.00 H new ATOM 0 HA LYS A 964 7.660 2.232 -6.724 1.00 0.00 H new ATOM 0 HB2 LYS A 964 6.921 -0.679 -6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 964 6.517 0.235 -7.667 1.00 0.00 H new ATOM 0 HG2 LYS A 964 8.933 0.527 -8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 964 9.342 -0.376 -6.720 1.00 0.00 H new ATOM 0 HD2 LYS A 964 9.471 -1.880 -8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 964 8.099 -2.354 -7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 964 7.488 -2.378 -10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 964 6.562 -1.158 -9.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 7.578 -0.499 -11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 7.855 0.560 -10.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 9.083 -0.494 -10.571 1.00 0.00 H new ATOM 118 N THR A 965 4.934 1.681 -6.396 1.00 0.00 N ATOM 119 CA THR A 965 3.564 1.966 -5.994 1.00 0.00 C ATOM 120 C THR A 965 2.633 0.809 -6.352 1.00 0.00 C ATOM 121 O THR A 965 2.640 0.327 -7.485 1.00 0.00 O ATOM 122 CB THR A 965 3.041 3.254 -6.653 1.00 0.00 C ATOM 123 OG1 THR A 965 2.978 3.089 -8.075 1.00 0.00 O ATOM 124 CG2 THR A 965 3.935 4.436 -6.314 1.00 0.00 C ATOM 0 H THR A 965 5.041 1.410 -7.373 1.00 0.00 H new ATOM 0 HA THR A 965 3.574 2.100 -4.912 1.00 0.00 H new ATOM 0 HB THR A 965 2.041 3.452 -6.267 1.00 0.00 H new ATOM 0 HG1 THR A 965 2.996 2.134 -8.295 1.00 0.00 H new ATOM 0 HG21 THR A 965 3.545 5.335 -6.791 1.00 0.00 H new ATOM 0 HG22 THR A 965 3.956 4.578 -5.234 1.00 0.00 H new ATOM 0 HG23 THR A 965 4.946 4.243 -6.674 1.00 0.00 H new ATOM 132 N PRO A 966 1.824 0.345 -5.383 1.00 0.00 N ATOM 133 CA PRO A 966 0.914 -0.786 -5.588 1.00 0.00 C ATOM 134 C PRO A 966 -0.258 -0.430 -6.499 1.00 0.00 C ATOM 135 O PRO A 966 -0.642 0.735 -6.602 1.00 0.00 O ATOM 136 CB PRO A 966 0.415 -1.099 -4.176 1.00 0.00 C ATOM 137 CG PRO A 966 0.532 0.190 -3.441 1.00 0.00 C ATOM 138 CD PRO A 966 1.738 0.883 -4.012 1.00 0.00 C ATOM 0 HA PRO A 966 1.410 -1.625 -6.076 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -0.615 -1.455 -4.190 1.00 0.00 H new ATOM 0 HB3 PRO A 966 1.016 -1.878 -3.707 1.00 0.00 H new ATOM 0 HG2 PRO A 966 -0.365 0.796 -3.571 1.00 0.00 H new ATOM 0 HG3 PRO A 966 0.650 0.020 -2.371 1.00 0.00 H new ATOM 0 HD2 PRO A 966 1.616 1.966 -4.012 1.00 0.00 H new ATOM 0 HD3 PRO A 966 2.638 0.663 -3.437 1.00 0.00 H new ATOM 146 N PRO A 967 -0.845 -1.437 -7.172 1.00 0.00 N ATOM 147 CA PRO A 967 -1.988 -1.229 -8.068 1.00 0.00 C ATOM 148 C PRO A 967 -3.230 -0.760 -7.319 1.00 0.00 C ATOM 149 O PRO A 967 -3.503 -1.213 -6.207 1.00 0.00 O ATOM 150 CB PRO A 967 -2.224 -2.612 -8.682 1.00 0.00 C ATOM 151 CG PRO A 967 -1.621 -3.568 -7.713 1.00 0.00 C ATOM 152 CD PRO A 967 -0.446 -2.855 -7.108 1.00 0.00 C ATOM 0 HA PRO A 967 -1.788 -0.453 -8.806 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -3.288 -2.807 -8.820 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -1.755 -2.694 -9.663 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -2.341 -3.854 -6.947 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -1.307 -4.484 -8.213 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -0.264 -3.176 -6.083 1.00 0.00 H new ATOM 0 HD3 PRO A 967 0.470 -3.041 -7.668 1.00 0.00 H new ATOM 160 N ASP A 968 -3.973 0.156 -7.932 1.00 0.00 N ATOM 161 CA ASP A 968 -5.163 0.723 -7.308 1.00 0.00 C ATOM 162 C ASP A 968 -6.182 -0.367 -6.978 1.00 0.00 C ATOM 163 O ASP A 968 -6.712 -1.023 -7.874 1.00 0.00 O ATOM 164 CB ASP A 968 -5.794 1.771 -8.227 1.00 0.00 C ATOM 165 CG ASP A 968 -6.121 1.218 -9.601 1.00 0.00 C ATOM 166 OD1 ASP A 968 -5.238 1.259 -10.483 1.00 0.00 O ATOM 167 OD2 ASP A 968 -7.262 0.746 -9.795 1.00 0.00 O ATOM 0 H ASP A 968 -3.771 0.522 -8.862 1.00 0.00 H new ATOM 0 HA ASP A 968 -4.861 1.201 -6.376 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -6.705 2.152 -7.766 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -5.113 2.615 -8.332 1.00 0.00 H new ATOM 172 N PRO A 969 -6.471 -0.572 -5.679 1.00 0.00 N ATOM 173 CA PRO A 969 -7.448 -1.573 -5.233 1.00 0.00 C ATOM 174 C PRO A 969 -8.831 -1.337 -5.832 1.00 0.00 C ATOM 175 O PRO A 969 -9.169 -0.216 -6.212 1.00 0.00 O ATOM 176 CB PRO A 969 -7.490 -1.390 -3.712 1.00 0.00 C ATOM 177 CG PRO A 969 -6.204 -0.720 -3.369 1.00 0.00 C ATOM 178 CD PRO A 969 -5.871 0.153 -4.544 1.00 0.00 C ATOM 0 HA PRO A 969 -7.166 -2.579 -5.544 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -8.344 -0.783 -3.411 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -7.584 -2.348 -3.202 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -6.302 -0.129 -2.458 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -5.417 -1.453 -3.191 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -6.292 1.152 -4.436 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -4.794 0.272 -4.665 1.00 0.00 H new ATOM 186 N VAL A 970 -9.625 -2.400 -5.911 1.00 0.00 N ATOM 187 CA VAL A 970 -10.976 -2.308 -6.451 1.00 0.00 C ATOM 188 C VAL A 970 -11.833 -1.353 -5.627 1.00 0.00 C ATOM 189 O VAL A 970 -11.900 -1.463 -4.402 1.00 0.00 O ATOM 190 CB VAL A 970 -11.657 -3.691 -6.500 1.00 0.00 C ATOM 191 CG1 VAL A 970 -11.734 -4.304 -5.110 1.00 0.00 C ATOM 192 CG2 VAL A 970 -13.042 -3.586 -7.121 1.00 0.00 C ATOM 0 H VAL A 970 -9.355 -3.336 -5.608 1.00 0.00 H new ATOM 0 HA VAL A 970 -10.887 -1.923 -7.467 1.00 0.00 H new ATOM 0 HB VAL A 970 -11.052 -4.347 -7.126 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -12.218 -5.279 -5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -10.728 -4.422 -4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -12.312 -3.651 -4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -13.505 -4.572 -7.146 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -13.657 -2.911 -6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -12.957 -3.199 -8.136 1.00 0.00 H new ATOM 202 N ASN A 971 -12.480 -0.411 -6.307 1.00 0.00 N ATOM 203 CA ASN A 971 -13.314 0.582 -5.638 1.00 0.00 C ATOM 204 C ASN A 971 -12.538 1.286 -4.529 1.00 0.00 C ATOM 205 O ASN A 971 -13.109 1.677 -3.511 1.00 0.00 O ATOM 206 CB ASN A 971 -14.568 -0.076 -5.059 1.00 0.00 C ATOM 207 CG ASN A 971 -15.394 -0.782 -6.117 1.00 0.00 C ATOM 208 OD1 ASN A 971 -15.393 -0.394 -7.285 1.00 0.00 O ATOM 209 ND2 ASN A 971 -16.109 -1.824 -5.709 1.00 0.00 N ATOM 0 H ASN A 971 -12.443 -0.315 -7.322 1.00 0.00 H new ATOM 0 HA ASN A 971 -13.612 1.325 -6.378 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -14.277 -0.793 -4.291 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -15.180 0.682 -4.571 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -16.687 -2.337 -6.374 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -16.080 -2.111 -4.731 1.00 0.00 H new ATOM 216 N GLY A 972 -11.232 1.434 -4.727 1.00 0.00 N ATOM 217 CA GLY A 972 -10.394 2.042 -3.711 1.00 0.00 C ATOM 218 C GLY A 972 -9.245 2.834 -4.301 1.00 0.00 C ATOM 219 O GLY A 972 -8.949 2.721 -5.490 1.00 0.00 O ATOM 0 H GLY A 972 -10.740 1.144 -5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -11.002 2.699 -3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -9.997 1.264 -3.059 1.00 0.00 H new ATOM 223 N MET A 973 -8.595 3.637 -3.465 1.00 0.00 N ATOM 224 CA MET A 973 -7.462 4.444 -3.901 1.00 0.00 C ATOM 225 C MET A 973 -6.401 4.528 -2.809 1.00 0.00 C ATOM 226 O MET A 973 -6.706 4.840 -1.657 1.00 0.00 O ATOM 227 CB MET A 973 -7.929 5.848 -4.289 1.00 0.00 C ATOM 228 CG MET A 973 -8.696 6.561 -3.186 1.00 0.00 C ATOM 229 SD MET A 973 -9.207 8.225 -3.657 1.00 0.00 S ATOM 230 CE MET A 973 -7.617 9.005 -3.922 1.00 0.00 C ATOM 0 H MET A 973 -8.835 3.746 -2.480 1.00 0.00 H new ATOM 0 HA MET A 973 -7.019 3.964 -4.773 1.00 0.00 H new ATOM 0 HB2 MET A 973 -7.061 6.448 -4.563 1.00 0.00 H new ATOM 0 HB3 MET A 973 -8.561 5.780 -5.174 1.00 0.00 H new ATOM 0 HG2 MET A 973 -9.577 5.975 -2.925 1.00 0.00 H new ATOM 0 HG3 MET A 973 -8.073 6.616 -2.293 1.00 0.00 H new ATOM 0 HE1 MET A 973 -7.729 10.088 -3.868 1.00 0.00 H new ATOM 0 HE2 MET A 973 -6.917 8.674 -3.155 1.00 0.00 H new ATOM 0 HE3 MET A 973 -7.236 8.729 -4.905 1.00 0.00 H new ATOM 240 N VAL A 974 -5.156 4.246 -3.177 1.00 0.00 N ATOM 241 CA VAL A 974 -4.049 4.297 -2.231 1.00 0.00 C ATOM 242 C VAL A 974 -3.544 5.727 -2.056 1.00 0.00 C ATOM 243 O VAL A 974 -3.515 6.505 -3.010 1.00 0.00 O ATOM 244 CB VAL A 974 -2.882 3.397 -2.683 1.00 0.00 C ATOM 245 CG1 VAL A 974 -2.357 3.841 -4.040 1.00 0.00 C ATOM 246 CG2 VAL A 974 -1.771 3.394 -1.645 1.00 0.00 C ATOM 0 H VAL A 974 -4.889 3.980 -4.125 1.00 0.00 H new ATOM 0 HA VAL A 974 -4.427 3.931 -1.277 1.00 0.00 H new ATOM 0 HB VAL A 974 -3.254 2.377 -2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -1.534 3.193 -4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -3.157 3.778 -4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -2.004 4.870 -3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -0.958 2.753 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -1.399 4.409 -1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -2.159 3.018 -0.698 1.00 0.00 H new ATOM 256 N HIS A 975 -3.161 6.069 -0.831 1.00 0.00 N ATOM 257 CA HIS A 975 -2.716 7.421 -0.519 1.00 0.00 C ATOM 258 C HIS A 975 -1.195 7.490 -0.424 1.00 0.00 C ATOM 259 O HIS A 975 -0.625 7.381 0.662 1.00 0.00 O ATOM 260 CB HIS A 975 -3.342 7.897 0.793 1.00 0.00 C ATOM 261 CG HIS A 975 -4.839 7.933 0.763 1.00 0.00 C ATOM 262 ND1 HIS A 975 -5.627 6.955 1.332 1.00 0.00 N ATOM 263 CD2 HIS A 975 -5.693 8.840 0.231 1.00 0.00 C ATOM 264 CE1 HIS A 975 -6.900 7.258 1.151 1.00 0.00 C ATOM 265 NE2 HIS A 975 -6.967 8.397 0.486 1.00 0.00 N ATOM 0 H HIS A 975 -3.150 5.428 -0.038 1.00 0.00 H new ATOM 0 HA HIS A 975 -3.040 8.076 -1.328 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -3.019 7.240 1.600 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -2.967 8.894 1.024 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -5.422 9.743 -0.296 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -7.743 6.674 1.489 1.00 0.00 H new ATOM 0 HE2 HIS A 975 -7.826 8.871 0.207 1.00 0.00 H new ATOM 274 N VAL A 976 -0.544 7.686 -1.567 1.00 0.00 N ATOM 275 CA VAL A 976 0.902 7.866 -1.600 1.00 0.00 C ATOM 276 C VAL A 976 1.306 9.148 -0.875 1.00 0.00 C ATOM 277 O VAL A 976 0.831 10.234 -1.206 1.00 0.00 O ATOM 278 CB VAL A 976 1.432 7.907 -3.048 1.00 0.00 C ATOM 279 CG1 VAL A 976 0.674 8.937 -3.871 1.00 0.00 C ATOM 280 CG2 VAL A 976 2.927 8.191 -3.069 1.00 0.00 C ATOM 0 H VAL A 976 -0.995 7.724 -2.481 1.00 0.00 H new ATOM 0 HA VAL A 976 1.345 7.010 -1.091 1.00 0.00 H new ATOM 0 HB VAL A 976 1.268 6.927 -3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 976 1.065 8.949 -4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 976 -0.385 8.679 -3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 976 0.798 9.923 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 976 3.278 8.215 -4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 976 3.121 9.154 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 976 3.454 7.407 -2.525 1.00 0.00 H new ATOM 290 N ILE A 977 2.168 9.010 0.128 1.00 0.00 N ATOM 291 CA ILE A 977 2.559 10.144 0.959 1.00 0.00 C ATOM 292 C ILE A 977 3.131 11.277 0.111 1.00 0.00 C ATOM 293 O ILE A 977 2.429 12.234 -0.217 1.00 0.00 O ATOM 294 CB ILE A 977 3.596 9.732 2.024 1.00 0.00 C ATOM 295 CG1 ILE A 977 3.055 8.583 2.882 1.00 0.00 C ATOM 296 CG2 ILE A 977 3.967 10.924 2.896 1.00 0.00 C ATOM 297 CD1 ILE A 977 1.785 8.925 3.634 1.00 0.00 C ATOM 0 H ILE A 977 2.608 8.126 0.385 1.00 0.00 H new ATOM 0 HA ILE A 977 1.657 10.493 1.462 1.00 0.00 H new ATOM 0 HB ILE A 977 4.496 9.386 1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 977 2.866 7.722 2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 977 3.821 8.285 3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 977 4.699 10.615 3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 977 4.392 11.712 2.274 1.00 0.00 H new ATOM 0 HG23 ILE A 977 3.075 11.300 3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 977 1.464 8.062 4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 977 1.973 9.766 4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 977 1.003 9.193 2.924 1.00 0.00 H new ATOM 309 N THR A 978 4.407 11.159 -0.243 1.00 0.00 N ATOM 310 CA THR A 978 5.076 12.170 -1.054 1.00 0.00 C ATOM 311 C THR A 978 6.133 11.539 -1.953 1.00 0.00 C ATOM 312 O THR A 978 6.093 11.684 -3.175 1.00 0.00 O ATOM 313 CB THR A 978 5.746 13.247 -0.178 1.00 0.00 C ATOM 314 OG1 THR A 978 6.644 12.632 0.754 1.00 0.00 O ATOM 315 CG2 THR A 978 4.707 14.064 0.575 1.00 0.00 C ATOM 0 H THR A 978 4.999 10.371 0.020 1.00 0.00 H new ATOM 0 HA THR A 978 4.307 12.639 -1.668 1.00 0.00 H new ATOM 0 HB THR A 978 6.303 13.917 -0.833 1.00 0.00 H new ATOM 0 HG1 THR A 978 7.067 13.323 1.306 1.00 0.00 H new ATOM 0 HG21 THR A 978 5.208 14.816 1.185 1.00 0.00 H new ATOM 0 HG22 THR A 978 4.045 14.556 -0.137 1.00 0.00 H new ATOM 0 HG23 THR A 978 4.123 13.406 1.218 1.00 0.00 H new ATOM 323 N ASP A 979 7.082 10.841 -1.336 1.00 0.00 N ATOM 324 CA ASP A 979 8.167 10.203 -2.072 1.00 0.00 C ATOM 325 C ASP A 979 8.347 8.760 -1.616 1.00 0.00 C ATOM 326 O ASP A 979 9.148 8.017 -2.183 1.00 0.00 O ATOM 327 CB ASP A 979 9.468 10.977 -1.867 1.00 0.00 C ATOM 328 CG ASP A 979 10.582 10.492 -2.775 1.00 0.00 C ATOM 329 OD1 ASP A 979 10.281 10.070 -3.911 1.00 0.00 O ATOM 330 OD2 ASP A 979 11.756 10.539 -2.352 1.00 0.00 O ATOM 0 H ASP A 979 7.121 10.703 -0.326 1.00 0.00 H new ATOM 0 HA ASP A 979 7.912 10.206 -3.132 1.00 0.00 H new ATOM 0 HB2 ASP A 979 9.289 12.036 -2.051 1.00 0.00 H new ATOM 0 HB3 ASP A 979 9.783 10.882 -0.828 1.00 0.00 H new ATOM 335 N ILE A 980 7.570 8.374 -0.605 1.00 0.00 N ATOM 336 CA ILE A 980 7.511 6.987 -0.141 1.00 0.00 C ATOM 337 C ILE A 980 8.890 6.333 -0.137 1.00 0.00 C ATOM 338 O ILE A 980 9.068 5.224 -0.643 1.00 0.00 O ATOM 339 CB ILE A 980 6.537 6.134 -0.986 1.00 0.00 C ATOM 340 CG1 ILE A 980 6.945 6.132 -2.463 1.00 0.00 C ATOM 341 CG2 ILE A 980 5.114 6.652 -0.826 1.00 0.00 C ATOM 342 CD1 ILE A 980 6.097 5.224 -3.328 1.00 0.00 C ATOM 0 H ILE A 980 6.965 9.011 -0.086 1.00 0.00 H new ATOM 0 HA ILE A 980 7.138 7.026 0.882 1.00 0.00 H new ATOM 0 HB ILE A 980 6.581 5.106 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 980 6.882 7.149 -2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 980 7.988 5.825 -2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 980 4.436 6.044 -1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 980 4.822 6.595 0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 980 5.064 7.688 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 980 6.445 5.275 -4.360 1.00 0.00 H new ATOM 0 HD12 ILE A 980 6.178 4.198 -2.968 1.00 0.00 H new ATOM 0 HD13 ILE A 980 5.056 5.544 -3.280 1.00 0.00 H new ATOM 354 N GLN A 981 9.858 7.027 0.452 1.00 0.00 N ATOM 355 CA GLN A 981 11.206 6.493 0.598 1.00 0.00 C ATOM 356 C GLN A 981 11.231 5.364 1.622 1.00 0.00 C ATOM 357 O GLN A 981 10.184 4.892 2.065 1.00 0.00 O ATOM 358 CB GLN A 981 12.166 7.606 1.022 1.00 0.00 C ATOM 359 CG GLN A 981 12.069 8.849 0.153 1.00 0.00 C ATOM 360 CD GLN A 981 12.844 10.022 0.719 1.00 0.00 C ATOM 361 OE1 GLN A 981 13.870 9.847 1.375 1.00 0.00 O ATOM 362 NE2 GLN A 981 12.349 11.229 0.470 1.00 0.00 N ATOM 0 H GLN A 981 9.733 7.963 0.837 1.00 0.00 H new ATOM 0 HA GLN A 981 11.525 6.092 -0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 981 11.961 7.878 2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 981 13.187 7.227 0.989 1.00 0.00 H new ATOM 0 HG2 GLN A 981 12.443 8.620 -0.845 1.00 0.00 H new ATOM 0 HG3 GLN A 981 11.021 9.130 0.044 1.00 0.00 H new ATOM 0 HE21 GLN A 981 11.495 11.327 -0.079 1.00 0.00 H new ATOM 0 HE22 GLN A 981 12.823 12.058 0.828 1.00 0.00 H new ATOM 371 N VAL A 982 12.431 4.939 2.000 1.00 0.00 N ATOM 372 CA VAL A 982 12.587 3.888 2.999 1.00 0.00 C ATOM 373 C VAL A 982 12.080 4.348 4.361 1.00 0.00 C ATOM 374 O VAL A 982 12.429 5.430 4.832 1.00 0.00 O ATOM 375 CB VAL A 982 14.057 3.450 3.129 1.00 0.00 C ATOM 376 CG1 VAL A 982 14.190 2.303 4.119 1.00 0.00 C ATOM 377 CG2 VAL A 982 14.615 3.059 1.770 1.00 0.00 C ATOM 0 H VAL A 982 13.309 5.305 1.631 1.00 0.00 H new ATOM 0 HA VAL A 982 11.993 3.038 2.662 1.00 0.00 H new ATOM 0 HB VAL A 982 14.637 4.292 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 982 15.237 2.009 4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 982 13.830 2.623 5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 982 13.599 1.455 3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 982 15.655 2.752 1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 982 14.033 2.233 1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 982 14.557 3.912 1.094 1.00 0.00 H new ATOM 387 N GLY A 983 11.249 3.520 4.987 1.00 0.00 N ATOM 388 CA GLY A 983 10.687 3.868 6.278 1.00 0.00 C ATOM 389 C GLY A 983 9.349 4.570 6.157 1.00 0.00 C ATOM 390 O GLY A 983 8.635 4.733 7.147 1.00 0.00 O ATOM 0 H GLY A 983 10.955 2.614 4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 983 10.567 2.964 6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 983 11.385 4.512 6.813 1.00 0.00 H new ATOM 394 N SER A 984 9.008 4.986 4.941 1.00 0.00 N ATOM 395 CA SER A 984 7.745 5.674 4.696 1.00 0.00 C ATOM 396 C SER A 984 6.563 4.735 4.915 1.00 0.00 C ATOM 397 O SER A 984 6.706 3.515 4.844 1.00 0.00 O ATOM 398 CB SER A 984 7.710 6.233 3.272 1.00 0.00 C ATOM 399 OG SER A 984 8.761 7.160 3.063 1.00 0.00 O ATOM 0 H SER A 984 9.588 4.859 4.111 1.00 0.00 H new ATOM 0 HA SER A 984 7.667 6.499 5.404 1.00 0.00 H new ATOM 0 HB2 SER A 984 7.793 5.416 2.555 1.00 0.00 H new ATOM 0 HB3 SER A 984 6.751 6.719 3.092 1.00 0.00 H new ATOM 0 HG SER A 984 8.432 7.913 2.530 1.00 0.00 H new ATOM 405 N ARG A 985 5.398 5.312 5.190 1.00 0.00 N ATOM 406 CA ARG A 985 4.200 4.526 5.468 1.00 0.00 C ATOM 407 C ARG A 985 2.971 5.146 4.811 1.00 0.00 C ATOM 408 O ARG A 985 2.557 6.250 5.165 1.00 0.00 O ATOM 409 CB ARG A 985 3.982 4.410 6.979 1.00 0.00 C ATOM 410 CG ARG A 985 2.748 3.607 7.357 1.00 0.00 C ATOM 411 CD ARG A 985 2.558 3.555 8.865 1.00 0.00 C ATOM 412 NE ARG A 985 3.700 2.942 9.539 1.00 0.00 N ATOM 413 CZ ARG A 985 3.815 2.853 10.861 1.00 0.00 C ATOM 414 NH1 ARG A 985 2.862 3.335 11.647 1.00 0.00 N ATOM 415 NH2 ARG A 985 4.884 2.281 11.397 1.00 0.00 N ATOM 0 H ARG A 985 5.257 6.322 5.226 1.00 0.00 H new ATOM 0 HA ARG A 985 4.346 3.530 5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 985 4.859 3.946 7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 985 3.898 5.411 7.403 1.00 0.00 H new ATOM 0 HG2 ARG A 985 1.867 4.051 6.893 1.00 0.00 H new ATOM 0 HG3 ARG A 985 2.838 2.594 6.965 1.00 0.00 H new ATOM 0 HD2 ARG A 985 2.411 4.565 9.247 1.00 0.00 H new ATOM 0 HD3 ARG A 985 1.654 2.992 9.097 1.00 0.00 H new ATOM 0 HE ARG A 985 4.451 2.561 8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 985 2.038 3.775 11.238 1.00 0.00 H new ATOM 0 HH12 ARG A 985 2.953 3.265 12.661 1.00 0.00 H new ATOM 0 HH21 ARG A 985 5.619 1.909 10.795 1.00 0.00 H new ATOM 0 HH22 ARG A 985 4.972 2.213 12.411 1.00 0.00 H new ATOM 429 N ILE A 986 2.384 4.421 3.864 1.00 0.00 N ATOM 430 CA ILE A 986 1.151 4.857 3.218 1.00 0.00 C ATOM 431 C ILE A 986 -0.051 4.100 3.771 1.00 0.00 C ATOM 432 O ILE A 986 0.097 3.204 4.602 1.00 0.00 O ATOM 433 CB ILE A 986 1.215 4.660 1.692 1.00 0.00 C ATOM 434 CG1 ILE A 986 1.494 3.193 1.357 1.00 0.00 C ATOM 435 CG2 ILE A 986 2.282 5.562 1.088 1.00 0.00 C ATOM 436 CD1 ILE A 986 1.463 2.891 -0.126 1.00 0.00 C ATOM 0 H ILE A 986 2.743 3.528 3.527 1.00 0.00 H new ATOM 0 HA ILE A 986 1.038 5.920 3.431 1.00 0.00 H new ATOM 0 HB ILE A 986 0.251 4.933 1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 986 2.471 2.918 1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 986 0.757 2.568 1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 986 2.317 5.413 0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 986 2.042 6.603 1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 986 3.253 5.317 1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 986 1.669 1.833 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 986 0.479 3.133 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 986 2.219 3.489 -0.635 1.00 0.00 H new ATOM 448 N THR A 987 -1.244 4.469 3.312 1.00 0.00 N ATOM 449 CA THR A 987 -2.474 3.863 3.810 1.00 0.00 C ATOM 450 C THR A 987 -3.421 3.516 2.665 1.00 0.00 C ATOM 451 O THR A 987 -3.561 4.278 1.709 1.00 0.00 O ATOM 452 CB THR A 987 -3.201 4.796 4.795 1.00 0.00 C ATOM 453 OG1 THR A 987 -3.531 6.031 4.149 1.00 0.00 O ATOM 454 CG2 THR A 987 -2.338 5.073 6.017 1.00 0.00 C ATOM 0 H THR A 987 -1.384 5.183 2.597 1.00 0.00 H new ATOM 0 HA THR A 987 -2.187 2.949 4.330 1.00 0.00 H new ATOM 0 HB THR A 987 -4.116 4.301 5.120 1.00 0.00 H new ATOM 0 HG1 THR A 987 -3.995 6.618 4.782 1.00 0.00 H new ATOM 0 HG21 THR A 987 -2.873 5.734 6.698 1.00 0.00 H new ATOM 0 HG22 THR A 987 -2.113 4.135 6.524 1.00 0.00 H new ATOM 0 HG23 THR A 987 -1.408 5.549 5.705 1.00 0.00 H new ATOM 462 N TYR A 988 -4.075 2.364 2.777 1.00 0.00 N ATOM 463 CA TYR A 988 -5.051 1.936 1.780 1.00 0.00 C ATOM 464 C TYR A 988 -6.472 2.161 2.283 1.00 0.00 C ATOM 465 O TYR A 988 -6.742 2.043 3.478 1.00 0.00 O ATOM 466 CB TYR A 988 -4.846 0.458 1.438 1.00 0.00 C ATOM 467 CG TYR A 988 -3.455 0.137 0.941 1.00 0.00 C ATOM 468 CD1 TYR A 988 -2.445 -0.217 1.826 1.00 0.00 C ATOM 469 CD2 TYR A 988 -3.152 0.191 -0.414 1.00 0.00 C ATOM 470 CE1 TYR A 988 -1.172 -0.510 1.376 1.00 0.00 C ATOM 471 CE2 TYR A 988 -1.882 -0.102 -0.872 1.00 0.00 C ATOM 472 CZ TYR A 988 -0.896 -0.451 0.026 1.00 0.00 C ATOM 473 OH TYR A 988 0.371 -0.742 -0.426 1.00 0.00 O ATOM 0 H TYR A 988 -3.947 1.709 3.549 1.00 0.00 H new ATOM 0 HA TYR A 988 -4.903 2.534 0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -5.054 -0.143 2.323 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -5.570 0.166 0.678 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -2.658 -0.264 2.884 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -3.921 0.466 -1.120 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -0.398 -0.784 2.077 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -1.663 -0.058 -1.929 1.00 0.00 H new ATOM 0 HH TYR A 988 0.332 -1.503 -1.042 1.00 0.00 H new ATOM 483 N SER A 989 -7.377 2.491 1.367 1.00 0.00 N ATOM 484 CA SER A 989 -8.762 2.771 1.731 1.00 0.00 C ATOM 485 C SER A 989 -9.705 2.500 0.563 1.00 0.00 C ATOM 486 O SER A 989 -9.434 2.891 -0.573 1.00 0.00 O ATOM 487 CB SER A 989 -8.906 4.224 2.187 1.00 0.00 C ATOM 488 OG SER A 989 -8.092 4.489 3.316 1.00 0.00 O ATOM 0 H SER A 989 -7.177 2.571 0.370 1.00 0.00 H new ATOM 0 HA SER A 989 -9.033 2.107 2.552 1.00 0.00 H new ATOM 0 HB2 SER A 989 -8.631 4.893 1.372 1.00 0.00 H new ATOM 0 HB3 SER A 989 -9.948 4.430 2.430 1.00 0.00 H new ATOM 0 HG SER A 989 -8.202 5.425 3.586 1.00 0.00 H new ATOM 494 N CYS A 990 -10.825 1.844 0.856 1.00 0.00 N ATOM 495 CA CYS A 990 -11.872 1.631 -0.137 1.00 0.00 C ATOM 496 C CYS A 990 -12.845 2.807 -0.144 1.00 0.00 C ATOM 497 O CYS A 990 -12.728 3.720 0.673 1.00 0.00 O ATOM 498 CB CYS A 990 -12.618 0.326 0.158 1.00 0.00 C ATOM 499 SG CYS A 990 -13.686 -0.254 -1.202 1.00 0.00 S ATOM 0 H CYS A 990 -11.030 1.451 1.775 1.00 0.00 H new ATOM 0 HA CYS A 990 -11.411 1.558 -1.122 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -11.889 -0.451 0.388 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -13.229 0.464 1.050 1.00 0.00 H new ATOM 504 N THR A 991 -13.797 2.787 -1.072 1.00 0.00 N ATOM 505 CA THR A 991 -14.759 3.869 -1.205 1.00 0.00 C ATOM 506 C THR A 991 -15.549 4.073 0.083 1.00 0.00 C ATOM 507 O THR A 991 -15.187 4.896 0.924 1.00 0.00 O ATOM 508 CB THR A 991 -15.732 3.602 -2.363 1.00 0.00 C ATOM 509 OG1 THR A 991 -16.113 2.221 -2.377 1.00 0.00 O ATOM 510 CG2 THR A 991 -15.107 3.977 -3.698 1.00 0.00 C ATOM 0 H THR A 991 -13.921 2.029 -1.744 1.00 0.00 H new ATOM 0 HA THR A 991 -14.192 4.776 -1.416 1.00 0.00 H new ATOM 0 HB THR A 991 -16.617 4.220 -2.211 1.00 0.00 H new ATOM 0 HG1 THR A 991 -16.734 2.061 -3.118 1.00 0.00 H new ATOM 0 HG21 THR A 991 -15.817 3.778 -4.501 1.00 0.00 H new ATOM 0 HG22 THR A 991 -14.850 5.036 -3.695 1.00 0.00 H new ATOM 0 HG23 THR A 991 -14.205 3.386 -3.856 1.00 0.00 H new ATOM 518 N THR A 992 -16.622 3.310 0.230 1.00 0.00 N ATOM 519 CA THR A 992 -17.438 3.358 1.436 1.00 0.00 C ATOM 520 C THR A 992 -16.768 2.585 2.570 1.00 0.00 C ATOM 521 O THR A 992 -15.795 1.865 2.346 1.00 0.00 O ATOM 522 CB THR A 992 -18.843 2.776 1.180 1.00 0.00 C ATOM 523 OG1 THR A 992 -19.354 3.264 -0.066 1.00 0.00 O ATOM 524 CG2 THR A 992 -19.804 3.151 2.300 1.00 0.00 C ATOM 0 H THR A 992 -16.949 2.648 -0.473 1.00 0.00 H new ATOM 0 HA THR A 992 -17.538 4.405 1.723 1.00 0.00 H new ATOM 0 HB THR A 992 -18.756 1.690 1.144 1.00 0.00 H new ATOM 0 HG1 THR A 992 -20.246 2.889 -0.223 1.00 0.00 H new ATOM 0 HG21 THR A 992 -20.787 2.727 2.093 1.00 0.00 H new ATOM 0 HG22 THR A 992 -19.431 2.758 3.246 1.00 0.00 H new ATOM 0 HG23 THR A 992 -19.883 4.236 2.364 1.00 0.00 H new ATOM 532 N GLY A 993 -17.291 2.738 3.784 1.00 0.00 N ATOM 533 CA GLY A 993 -16.753 2.015 4.922 1.00 0.00 C ATOM 534 C GLY A 993 -16.695 0.518 4.683 1.00 0.00 C ATOM 535 O GLY A 993 -17.691 -0.185 4.859 1.00 0.00 O ATOM 0 H GLY A 993 -18.078 3.350 3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -15.751 2.384 5.142 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -17.367 2.216 5.800 1.00 0.00 H new ATOM 539 N HIS A 994 -15.529 0.034 4.270 1.00 0.00 N ATOM 540 CA HIS A 994 -15.357 -1.377 3.938 1.00 0.00 C ATOM 541 C HIS A 994 -14.084 -1.932 4.569 1.00 0.00 C ATOM 542 O HIS A 994 -13.192 -1.177 4.955 1.00 0.00 O ATOM 543 CB HIS A 994 -15.311 -1.560 2.419 1.00 0.00 C ATOM 544 CG HIS A 994 -16.554 -1.094 1.723 1.00 0.00 C ATOM 545 ND1 HIS A 994 -17.819 -1.279 2.238 1.00 0.00 N ATOM 546 CD2 HIS A 994 -16.721 -0.447 0.545 1.00 0.00 C ATOM 547 CE1 HIS A 994 -18.710 -0.768 1.408 1.00 0.00 C ATOM 548 NE2 HIS A 994 -18.070 -0.257 0.374 1.00 0.00 N ATOM 0 H HIS A 994 -14.687 0.598 4.157 1.00 0.00 H new ATOM 0 HA HIS A 994 -16.208 -1.928 4.338 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -14.455 -1.015 2.021 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -15.151 -2.614 2.193 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -15.939 -0.138 -0.133 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -19.780 -0.768 1.551 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -18.507 0.205 -0.424 1.00 0.00 H new ATOM 557 N ARG A 995 -14.015 -3.255 4.684 1.00 0.00 N ATOM 558 CA ARG A 995 -12.889 -3.909 5.340 1.00 0.00 C ATOM 559 C ARG A 995 -11.806 -4.273 4.331 1.00 0.00 C ATOM 560 O ARG A 995 -12.103 -4.708 3.218 1.00 0.00 O ATOM 561 CB ARG A 995 -13.361 -5.167 6.072 1.00 0.00 C ATOM 562 CG ARG A 995 -14.430 -4.897 7.119 1.00 0.00 C ATOM 563 CD ARG A 995 -14.887 -6.180 7.793 1.00 0.00 C ATOM 564 NE ARG A 995 -15.922 -5.934 8.793 1.00 0.00 N ATOM 565 CZ ARG A 995 -16.599 -6.900 9.408 1.00 0.00 C ATOM 566 NH1 ARG A 995 -16.352 -8.172 9.125 1.00 0.00 N ATOM 567 NH2 ARG A 995 -17.525 -6.594 10.306 1.00 0.00 N ATOM 0 H ARG A 995 -14.726 -3.895 4.331 1.00 0.00 H new ATOM 0 HA ARG A 995 -12.467 -3.211 6.062 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -13.750 -5.877 5.342 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -12.505 -5.640 6.553 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -14.040 -4.210 7.870 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -15.284 -4.407 6.651 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -15.268 -6.870 7.040 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -14.033 -6.665 8.267 1.00 0.00 H new ATOM 0 HE ARG A 995 -16.138 -4.967 9.034 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -15.641 -8.412 8.434 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -16.873 -8.910 9.598 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -17.719 -5.617 10.526 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -18.043 -7.335 10.777 1.00 0.00 H new ATOM 581 N LEU A 996 -10.550 -4.095 4.727 1.00 0.00 N ATOM 582 CA LEU A 996 -9.424 -4.407 3.855 1.00 0.00 C ATOM 583 C LEU A 996 -8.953 -5.841 4.071 1.00 0.00 C ATOM 584 O LEU A 996 -8.705 -6.259 5.203 1.00 0.00 O ATOM 585 CB LEU A 996 -8.266 -3.440 4.109 1.00 0.00 C ATOM 586 CG LEU A 996 -7.162 -3.463 3.049 1.00 0.00 C ATOM 587 CD1 LEU A 996 -7.680 -2.918 1.727 1.00 0.00 C ATOM 588 CD2 LEU A 996 -5.956 -2.666 3.517 1.00 0.00 C ATOM 0 H LEU A 996 -10.287 -3.737 5.645 1.00 0.00 H new ATOM 0 HA LEU A 996 -9.758 -4.299 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -8.665 -2.428 4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -7.824 -3.672 5.078 1.00 0.00 H new ATOM 0 HG LEU A 996 -6.853 -4.497 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -6.881 -2.942 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -8.513 -3.530 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -8.017 -1.890 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -5.182 -2.694 2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -6.251 -1.632 3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -5.569 -3.099 4.439 1.00 0.00 H new ATOM 600 N ILE A 997 -8.816 -6.587 2.979 1.00 0.00 N ATOM 601 CA ILE A 997 -8.281 -7.941 3.043 1.00 0.00 C ATOM 602 C ILE A 997 -6.756 -7.917 3.073 1.00 0.00 C ATOM 603 O ILE A 997 -6.100 -8.004 2.034 1.00 0.00 O ATOM 604 CB ILE A 997 -8.754 -8.800 1.850 1.00 0.00 C ATOM 605 CG1 ILE A 997 -10.283 -8.883 1.818 1.00 0.00 C ATOM 606 CG2 ILE A 997 -8.150 -10.195 1.924 1.00 0.00 C ATOM 607 CD1 ILE A 997 -10.952 -7.644 1.261 1.00 0.00 C ATOM 0 H ILE A 997 -9.068 -6.276 2.041 1.00 0.00 H new ATOM 0 HA ILE A 997 -8.657 -8.389 3.962 1.00 0.00 H new ATOM 0 HB ILE A 997 -8.415 -8.324 0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -10.578 -9.744 1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -10.649 -9.058 2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -8.494 -10.786 1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -7.063 -10.123 1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -8.460 -10.677 2.851 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -12.034 -7.779 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -10.688 -6.782 1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -10.616 -7.478 0.237 1.00 0.00 H new ATOM 619 N GLY A 998 -6.199 -7.776 4.272 1.00 0.00 N ATOM 620 CA GLY A 998 -4.761 -7.637 4.412 1.00 0.00 C ATOM 621 C GLY A 998 -4.379 -6.736 5.568 1.00 0.00 C ATOM 622 O GLY A 998 -4.535 -7.106 6.731 1.00 0.00 O ATOM 0 H GLY A 998 -6.718 -7.756 5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -4.316 -8.621 4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -4.346 -7.234 3.488 1.00 0.00 H new ATOM 626 N HIS A 999 -3.882 -5.547 5.247 1.00 0.00 N ATOM 627 CA HIS A 999 -3.507 -4.573 6.266 1.00 0.00 C ATOM 628 C HIS A 999 -3.568 -3.154 5.706 1.00 0.00 C ATOM 629 O HIS A 999 -2.998 -2.869 4.654 1.00 0.00 O ATOM 630 CB HIS A 999 -2.099 -4.873 6.788 1.00 0.00 C ATOM 631 CG HIS A 999 -1.746 -4.135 8.044 1.00 0.00 C ATOM 632 ND1 HIS A 999 -0.477 -4.137 8.584 1.00 0.00 N ATOM 633 CD2 HIS A 999 -2.503 -3.375 8.873 1.00 0.00 C ATOM 634 CE1 HIS A 999 -0.468 -3.413 9.689 1.00 0.00 C ATOM 635 NE2 HIS A 999 -1.684 -2.939 9.885 1.00 0.00 N ATOM 0 H HIS A 999 -3.729 -5.234 4.288 1.00 0.00 H new ATOM 0 HA HIS A 999 -4.216 -4.648 7.091 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -2.011 -5.944 6.971 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -1.374 -4.621 6.014 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -3.554 -3.154 8.759 1.00 0.00 H new ATOM 0 HE1 HIS A 999 0.388 -3.239 10.324 1.00 0.00 H new ATOM 0 HE2 HIS A 999 -1.969 -2.344 10.663 1.00 0.00 H new ATOM 644 N SER A1000 -4.274 -2.273 6.412 1.00 0.00 N ATOM 645 CA SER A1000 -4.465 -0.900 5.954 1.00 0.00 C ATOM 646 C SER A1000 -3.239 -0.040 6.254 1.00 0.00 C ATOM 647 O SER A1000 -3.366 1.114 6.667 1.00 0.00 O ATOM 648 CB SER A1000 -5.703 -0.289 6.612 1.00 0.00 C ATOM 649 OG SER A1000 -5.580 -0.279 8.024 1.00 0.00 O ATOM 0 H SER A1000 -4.723 -2.486 7.303 1.00 0.00 H new ATOM 0 HA SER A1000 -4.608 -0.925 4.874 1.00 0.00 H new ATOM 0 HB2 SER A1000 -5.846 0.729 6.249 1.00 0.00 H new ATOM 0 HB3 SER A1000 -6.588 -0.857 6.325 1.00 0.00 H new ATOM 0 HG SER A1000 -6.384 0.118 8.420 1.00 0.00 H new ATOM 655 N SER A1001 -2.057 -0.606 6.033 1.00 0.00 N ATOM 656 CA SER A1001 -0.807 0.121 6.235 1.00 0.00 C ATOM 657 C SER A1001 0.388 -0.724 5.802 1.00 0.00 C ATOM 658 O SER A1001 0.339 -1.954 5.846 1.00 0.00 O ATOM 659 CB SER A1001 -0.654 0.521 7.704 1.00 0.00 C ATOM 660 OG SER A1001 -0.617 -0.619 8.544 1.00 0.00 O ATOM 0 H SER A1001 -1.938 -1.567 5.713 1.00 0.00 H new ATOM 0 HA SER A1001 -0.838 1.022 5.622 1.00 0.00 H new ATOM 0 HB2 SER A1001 0.260 1.101 7.833 1.00 0.00 H new ATOM 0 HB3 SER A1001 -1.483 1.165 7.997 1.00 0.00 H new ATOM 0 HG SER A1001 -1.528 -0.955 8.680 1.00 0.00 H new ATOM 666 N ALA A1002 1.458 -0.057 5.382 1.00 0.00 N ATOM 667 CA ALA A1002 2.664 -0.747 4.942 1.00 0.00 C ATOM 668 C ALA A1002 3.914 0.059 5.285 1.00 0.00 C ATOM 669 O ALA A1002 3.827 1.226 5.664 1.00 0.00 O ATOM 670 CB ALA A1002 2.603 -1.016 3.447 1.00 0.00 C ATOM 0 H ALA A1002 1.514 0.960 5.337 1.00 0.00 H new ATOM 0 HA ALA A1002 2.720 -1.699 5.470 1.00 0.00 H new ATOM 0 HB1 ALA A1002 3.510 -1.532 3.133 1.00 0.00 H new ATOM 0 HB2 ALA A1002 1.736 -1.638 3.224 1.00 0.00 H new ATOM 0 HB3 ALA A1002 2.519 -0.071 2.910 1.00 0.00 H new ATOM 676 N GLU A1003 5.075 -0.575 5.147 1.00 0.00 N ATOM 677 CA GLU A1003 6.343 0.083 5.437 1.00 0.00 C ATOM 678 C GLU A1003 7.417 -0.351 4.444 1.00 0.00 C ATOM 679 O GLU A1003 7.548 -1.535 4.135 1.00 0.00 O ATOM 680 CB GLU A1003 6.791 -0.235 6.865 1.00 0.00 C ATOM 681 CG GLU A1003 8.081 0.461 7.269 1.00 0.00 C ATOM 682 CD GLU A1003 8.495 0.142 8.692 1.00 0.00 C ATOM 683 OE1 GLU A1003 8.078 0.877 9.612 1.00 0.00 O ATOM 684 OE2 GLU A1003 9.235 -0.845 8.887 1.00 0.00 O ATOM 0 H GLU A1003 5.163 -1.543 4.836 1.00 0.00 H new ATOM 0 HA GLU A1003 6.198 1.159 5.342 1.00 0.00 H new ATOM 0 HB2 GLU A1003 6.000 0.054 7.557 1.00 0.00 H new ATOM 0 HB3 GLU A1003 6.923 -1.312 6.964 1.00 0.00 H new ATOM 0 HG2 GLU A1003 8.878 0.164 6.587 1.00 0.00 H new ATOM 0 HG3 GLU A1003 7.956 1.539 7.164 1.00 0.00 H new ATOM 691 N CYS A1004 8.181 0.617 3.946 1.00 0.00 N ATOM 692 CA CYS A1004 9.236 0.342 2.983 1.00 0.00 C ATOM 693 C CYS A1004 10.345 -0.497 3.609 1.00 0.00 C ATOM 694 O CYS A1004 11.168 0.011 4.370 1.00 0.00 O ATOM 695 CB CYS A1004 9.809 1.653 2.450 1.00 0.00 C ATOM 696 SG CYS A1004 8.983 2.270 0.949 1.00 0.00 S ATOM 0 H CYS A1004 8.086 1.601 4.196 1.00 0.00 H new ATOM 0 HA CYS A1004 8.806 -0.226 2.158 1.00 0.00 H new ATOM 0 HB2 CYS A1004 9.737 2.412 3.229 1.00 0.00 H new ATOM 0 HB3 CYS A1004 10.869 1.514 2.237 1.00 0.00 H new ATOM 701 N ILE A1005 10.363 -1.784 3.275 1.00 0.00 N ATOM 702 CA ILE A1005 11.399 -2.685 3.765 1.00 0.00 C ATOM 703 C ILE A1005 12.164 -3.326 2.610 1.00 0.00 C ATOM 704 O ILE A1005 11.570 -3.928 1.716 1.00 0.00 O ATOM 705 CB ILE A1005 10.808 -3.793 4.658 1.00 0.00 C ATOM 706 CG1 ILE A1005 9.683 -4.530 3.925 1.00 0.00 C ATOM 707 CG2 ILE A1005 10.300 -3.202 5.964 1.00 0.00 C ATOM 708 CD1 ILE A1005 9.159 -5.738 4.670 1.00 0.00 C ATOM 0 H ILE A1005 9.672 -2.225 2.668 1.00 0.00 H new ATOM 0 HA ILE A1005 12.086 -2.082 4.359 1.00 0.00 H new ATOM 0 HB ILE A1005 11.594 -4.512 4.887 1.00 0.00 H new ATOM 0 HG12 ILE A1005 8.860 -3.837 3.751 1.00 0.00 H new ATOM 0 HG13 ILE A1005 10.045 -4.847 2.947 1.00 0.00 H new ATOM 0 HG21 ILE A1005 9.885 -3.996 6.585 1.00 0.00 H new ATOM 0 HG22 ILE A1005 11.124 -2.722 6.491 1.00 0.00 H new ATOM 0 HG23 ILE A1005 9.526 -2.464 5.753 1.00 0.00 H new ATOM 0 HD11 ILE A1005 8.365 -6.207 4.089 1.00 0.00 H new ATOM 0 HD12 ILE A1005 9.969 -6.452 4.821 1.00 0.00 H new ATOM 0 HD13 ILE A1005 8.765 -5.426 5.637 1.00 0.00 H new ATOM 720 N LEU A1006 13.486 -3.188 2.637 1.00 0.00 N ATOM 721 CA LEU A1006 14.334 -3.758 1.596 1.00 0.00 C ATOM 722 C LEU A1006 14.624 -5.228 1.876 1.00 0.00 C ATOM 723 O LEU A1006 15.018 -5.594 2.983 1.00 0.00 O ATOM 724 CB LEU A1006 15.649 -2.980 1.491 1.00 0.00 C ATOM 725 CG LEU A1006 15.503 -1.490 1.170 1.00 0.00 C ATOM 726 CD1 LEU A1006 15.091 -0.712 2.411 1.00 0.00 C ATOM 727 CD2 LEU A1006 16.804 -0.939 0.606 1.00 0.00 C ATOM 0 H LEU A1006 13.992 -2.687 3.367 1.00 0.00 H new ATOM 0 HA LEU A1006 13.800 -3.683 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A1006 16.188 -3.081 2.433 1.00 0.00 H new ATOM 0 HB3 LEU A1006 16.265 -3.442 0.720 1.00 0.00 H new ATOM 0 HG LEU A1006 14.722 -1.376 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A1006 14.993 0.345 2.162 1.00 0.00 H new ATOM 0 HD12 LEU A1006 14.136 -1.089 2.776 1.00 0.00 H new ATOM 0 HD13 LEU A1006 15.849 -0.833 3.185 1.00 0.00 H new ATOM 0 HD21 LEU A1006 16.684 0.121 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A1006 17.601 -1.068 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A1006 17.060 -1.475 -0.308 1.00 0.00 H new ATOM 739 N SER A1007 14.428 -6.067 0.863 1.00 0.00 N ATOM 740 CA SER A1007 14.684 -7.497 0.994 1.00 0.00 C ATOM 741 C SER A1007 16.033 -7.865 0.384 1.00 0.00 C ATOM 742 O SER A1007 16.305 -9.036 0.114 1.00 0.00 O ATOM 743 CB SER A1007 13.569 -8.300 0.319 1.00 0.00 C ATOM 744 OG SER A1007 13.480 -7.990 -1.060 1.00 0.00 O ATOM 0 H SER A1007 14.093 -5.781 -0.057 1.00 0.00 H new ATOM 0 HA SER A1007 14.706 -7.742 2.056 1.00 0.00 H new ATOM 0 HB2 SER A1007 13.758 -9.366 0.444 1.00 0.00 H new ATOM 0 HB3 SER A1007 12.617 -8.086 0.805 1.00 0.00 H new ATOM 0 HG SER A1007 12.762 -8.517 -1.468 1.00 0.00 H new ATOM 750 N GLY A1008 16.874 -6.858 0.169 1.00 0.00 N ATOM 751 CA GLY A1008 18.182 -7.095 -0.411 1.00 0.00 C ATOM 752 C GLY A1008 18.576 -6.025 -1.410 1.00 0.00 C ATOM 753 O GLY A1008 18.994 -4.932 -1.027 1.00 0.00 O ATOM 0 H GLY A1008 16.672 -5.882 0.386 1.00 0.00 H new ATOM 0 HA2 GLY A1008 18.926 -7.137 0.384 1.00 0.00 H new ATOM 0 HA3 GLY A1008 18.187 -8.067 -0.904 1.00 0.00 H new ATOM 757 N ASN A1009 18.439 -6.340 -2.693 1.00 0.00 N ATOM 758 CA ASN A1009 18.774 -5.394 -3.752 1.00 0.00 C ATOM 759 C ASN A1009 17.527 -4.659 -4.236 1.00 0.00 C ATOM 760 O ASN A1009 17.609 -3.757 -5.070 1.00 0.00 O ATOM 761 CB ASN A1009 19.438 -6.124 -4.922 1.00 0.00 C ATOM 762 CG ASN A1009 19.924 -5.173 -5.999 1.00 0.00 C ATOM 763 OD1 ASN A1009 20.285 -4.030 -5.719 1.00 0.00 O ATOM 764 ND2 ASN A1009 19.934 -5.643 -7.241 1.00 0.00 N ATOM 0 H ASN A1009 18.099 -7.242 -3.025 1.00 0.00 H new ATOM 0 HA ASN A1009 19.472 -4.661 -3.347 1.00 0.00 H new ATOM 0 HB2 ASN A1009 20.280 -6.708 -4.551 1.00 0.00 H new ATOM 0 HB3 ASN A1009 18.728 -6.828 -5.357 1.00 0.00 H new ATOM 0 HD21 ASN A1009 20.250 -5.050 -8.008 1.00 0.00 H new ATOM 0 HD22 ASN A1009 19.626 -6.597 -7.428 1.00 0.00 H new ATOM 771 N THR A1010 16.372 -5.051 -3.706 1.00 0.00 N ATOM 772 CA THR A1010 15.107 -4.433 -4.086 1.00 0.00 C ATOM 773 C THR A1010 14.317 -3.996 -2.857 1.00 0.00 C ATOM 774 O THR A1010 14.489 -4.545 -1.768 1.00 0.00 O ATOM 775 CB THR A1010 14.243 -5.393 -4.924 1.00 0.00 C ATOM 776 OG1 THR A1010 12.993 -4.772 -5.249 1.00 0.00 O ATOM 777 CG2 THR A1010 13.988 -6.691 -4.172 1.00 0.00 C ATOM 0 H THR A1010 16.287 -5.794 -3.012 1.00 0.00 H new ATOM 0 HA THR A1010 15.351 -3.557 -4.687 1.00 0.00 H new ATOM 0 HB THR A1010 14.784 -5.623 -5.842 1.00 0.00 H new ATOM 0 HG1 THR A1010 12.450 -5.389 -5.783 1.00 0.00 H new ATOM 0 HG21 THR A1010 13.376 -7.352 -4.785 1.00 0.00 H new ATOM 0 HG22 THR A1010 14.939 -7.177 -3.952 1.00 0.00 H new ATOM 0 HG23 THR A1010 13.467 -6.475 -3.239 1.00 0.00 H new ATOM 785 N ALA A1011 13.448 -3.007 -3.040 1.00 0.00 N ATOM 786 CA ALA A1011 12.625 -2.501 -1.948 1.00 0.00 C ATOM 787 C ALA A1011 11.144 -2.551 -2.309 1.00 0.00 C ATOM 788 O ALA A1011 10.747 -2.144 -3.401 1.00 0.00 O ATOM 789 CB ALA A1011 13.034 -1.079 -1.593 1.00 0.00 C ATOM 0 H ALA A1011 13.296 -2.540 -3.934 1.00 0.00 H new ATOM 0 HA ALA A1011 12.784 -3.141 -1.080 1.00 0.00 H new ATOM 0 HB1 ALA A1011 12.411 -0.714 -0.776 1.00 0.00 H new ATOM 0 HB2 ALA A1011 14.080 -1.067 -1.285 1.00 0.00 H new ATOM 0 HB3 ALA A1011 12.905 -0.435 -2.463 1.00 0.00 H new ATOM 795 N HIS A1012 10.332 -3.056 -1.386 1.00 0.00 N ATOM 796 CA HIS A1012 8.896 -3.167 -1.608 1.00 0.00 C ATOM 797 C HIS A1012 8.126 -2.947 -0.311 1.00 0.00 C ATOM 798 O HIS A1012 8.713 -2.645 0.729 1.00 0.00 O ATOM 799 CB HIS A1012 8.552 -4.540 -2.192 1.00 0.00 C ATOM 800 CG HIS A1012 8.953 -5.683 -1.312 1.00 0.00 C ATOM 801 ND1 HIS A1012 8.062 -6.361 -0.507 1.00 0.00 N ATOM 802 CD2 HIS A1012 10.157 -6.269 -1.113 1.00 0.00 C ATOM 803 CE1 HIS A1012 8.701 -7.314 0.149 1.00 0.00 C ATOM 804 NE2 HIS A1012 9.973 -7.280 -0.202 1.00 0.00 N ATOM 0 H HIS A1012 10.645 -3.395 -0.476 1.00 0.00 H new ATOM 0 HA HIS A1012 8.604 -2.394 -2.319 1.00 0.00 H new ATOM 0 HB2 HIS A1012 7.478 -4.590 -2.372 1.00 0.00 H new ATOM 0 HB3 HIS A1012 9.043 -4.647 -3.159 1.00 0.00 H new ATOM 0 HD1 HIS A1012 7.065 -6.159 -0.430 1.00 0.00 H new ATOM 0 HD2 HIS A1012 11.089 -5.993 -1.583 1.00 0.00 H new ATOM 0 HE1 HIS A1012 8.258 -8.003 0.853 1.00 0.00 H new ATOM 813 N TRP A1013 6.806 -3.092 -0.381 1.00 0.00 N ATOM 814 CA TRP A1013 5.949 -2.867 0.777 1.00 0.00 C ATOM 815 C TRP A1013 5.700 -4.169 1.532 1.00 0.00 C ATOM 816 O TRP A1013 5.767 -5.255 0.956 1.00 0.00 O ATOM 817 CB TRP A1013 4.619 -2.254 0.339 1.00 0.00 C ATOM 818 CG TRP A1013 4.777 -0.968 -0.413 1.00 0.00 C ATOM 819 CD1 TRP A1013 4.698 -0.795 -1.766 1.00 0.00 C ATOM 820 CD2 TRP A1013 5.047 0.324 0.142 1.00 0.00 C ATOM 821 NE1 TRP A1013 4.899 0.527 -2.085 1.00 0.00 N ATOM 822 CE2 TRP A1013 5.114 1.234 -0.931 1.00 0.00 C ATOM 823 CE3 TRP A1013 5.236 0.801 1.443 1.00 0.00 C ATOM 824 CZ2 TRP A1013 5.361 2.592 -0.742 1.00 0.00 C ATOM 825 CZ3 TRP A1013 5.483 2.148 1.628 1.00 0.00 C ATOM 826 CH2 TRP A1013 5.542 3.030 0.542 1.00 0.00 C ATOM 0 H TRP A1013 6.307 -3.364 -1.228 1.00 0.00 H new ATOM 0 HA TRP A1013 6.458 -2.174 1.446 1.00 0.00 H new ATOM 0 HB2 TRP A1013 4.086 -2.970 -0.287 1.00 0.00 H new ATOM 0 HB3 TRP A1013 4.001 -2.078 1.219 1.00 0.00 H new ATOM 0 HD1 TRP A1013 4.506 -1.582 -2.480 1.00 0.00 H new ATOM 0 HE1 TRP A1013 4.890 0.918 -3.027 1.00 0.00 H new ATOM 0 HE3 TRP A1013 5.190 0.129 2.287 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 5.408 3.274 -1.578 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 5.633 2.527 2.628 1.00 0.00 H new ATOM 0 HH2 TRP A1013 5.734 4.078 0.721 1.00 0.00 H new ATOM 837 N SER A1014 5.422 -4.052 2.827 1.00 0.00 N ATOM 838 CA SER A1014 5.226 -5.222 3.677 1.00 0.00 C ATOM 839 C SER A1014 3.746 -5.589 3.770 1.00 0.00 C ATOM 840 O SER A1014 3.280 -6.068 4.804 1.00 0.00 O ATOM 841 CB SER A1014 5.787 -4.958 5.076 1.00 0.00 C ATOM 842 OG SER A1014 5.679 -6.108 5.896 1.00 0.00 O ATOM 0 H SER A1014 5.327 -3.159 3.311 1.00 0.00 H new ATOM 0 HA SER A1014 5.760 -6.060 3.229 1.00 0.00 H new ATOM 0 HB2 SER A1014 6.832 -4.658 5.001 1.00 0.00 H new ATOM 0 HB3 SER A1014 5.250 -4.128 5.536 1.00 0.00 H new ATOM 0 HG SER A1014 4.766 -6.461 5.846 1.00 0.00 H new ATOM 848 N THR A1015 3.013 -5.365 2.684 1.00 0.00 N ATOM 849 CA THR A1015 1.591 -5.687 2.644 1.00 0.00 C ATOM 850 C THR A1015 1.228 -6.440 1.367 1.00 0.00 C ATOM 851 O THR A1015 1.730 -6.129 0.286 1.00 0.00 O ATOM 852 CB THR A1015 0.724 -4.417 2.742 1.00 0.00 C ATOM 853 OG1 THR A1015 -0.665 -4.770 2.717 1.00 0.00 O ATOM 854 CG2 THR A1015 1.028 -3.462 1.597 1.00 0.00 C ATOM 0 H THR A1015 3.379 -4.962 1.821 1.00 0.00 H new ATOM 0 HA THR A1015 1.390 -6.324 3.505 1.00 0.00 H new ATOM 0 HB THR A1015 0.957 -3.917 3.682 1.00 0.00 H new ATOM 0 HG1 THR A1015 -1.210 -3.958 2.781 1.00 0.00 H new ATOM 0 HG21 THR A1015 0.403 -2.574 1.689 1.00 0.00 H new ATOM 0 HG22 THR A1015 2.078 -3.173 1.634 1.00 0.00 H new ATOM 0 HG23 THR A1015 0.821 -3.955 0.647 1.00 0.00 H new ATOM 862 N LYS A1016 0.344 -7.423 1.501 1.00 0.00 N ATOM 863 CA LYS A1016 -0.154 -8.171 0.353 1.00 0.00 C ATOM 864 C LYS A1016 -1.157 -7.337 -0.442 1.00 0.00 C ATOM 865 O LYS A1016 -1.725 -6.379 0.081 1.00 0.00 O ATOM 866 CB LYS A1016 -0.808 -9.473 0.822 1.00 0.00 C ATOM 867 CG LYS A1016 -1.941 -9.259 1.813 1.00 0.00 C ATOM 868 CD LYS A1016 -1.729 -10.063 3.087 1.00 0.00 C ATOM 869 CE LYS A1016 -0.532 -9.558 3.877 1.00 0.00 C ATOM 870 NZ LYS A1016 -0.722 -8.155 4.338 1.00 0.00 N ATOM 0 H LYS A1016 -0.043 -7.721 2.396 1.00 0.00 H new ATOM 0 HA LYS A1016 0.688 -8.407 -0.298 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -1.191 -10.011 -0.045 1.00 0.00 H new ATOM 0 HB3 LYS A1016 -0.049 -10.107 1.281 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -2.015 -8.200 2.059 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -2.887 -9.547 1.353 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -2.624 -10.006 3.706 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -1.582 -11.113 2.835 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -0.368 -10.204 4.739 1.00 0.00 H new ATOM 0 HE3 LYS A1016 0.363 -9.619 3.258 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 0.201 -7.741 4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -1.164 -7.597 3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -1.336 -8.146 5.178 1.00 0.00 H new ATOM 884 N PRO A1017 -1.388 -7.691 -1.722 1.00 0.00 N ATOM 885 CA PRO A1017 -2.330 -6.974 -2.586 1.00 0.00 C ATOM 886 C PRO A1017 -3.685 -6.766 -1.914 1.00 0.00 C ATOM 887 O PRO A1017 -4.449 -7.715 -1.732 1.00 0.00 O ATOM 888 CB PRO A1017 -2.474 -7.883 -3.818 1.00 0.00 C ATOM 889 CG PRO A1017 -1.790 -9.164 -3.461 1.00 0.00 C ATOM 890 CD PRO A1017 -0.759 -8.812 -2.429 1.00 0.00 C ATOM 0 HA PRO A1017 -1.971 -5.974 -2.828 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -3.524 -8.054 -4.058 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -2.017 -7.427 -4.696 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -2.502 -9.890 -3.069 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -1.326 -9.615 -4.338 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -0.551 -9.648 -1.761 1.00 0.00 H new ATOM 0 HD3 PRO A1017 0.189 -8.524 -2.884 1.00 0.00 H new ATOM 898 N PRO A1018 -3.991 -5.518 -1.516 1.00 0.00 N ATOM 899 CA PRO A1018 -5.201 -5.205 -0.748 1.00 0.00 C ATOM 900 C PRO A1018 -6.469 -5.303 -1.589 1.00 0.00 C ATOM 901 O PRO A1018 -6.461 -5.003 -2.783 1.00 0.00 O ATOM 902 CB PRO A1018 -4.971 -3.762 -0.296 1.00 0.00 C ATOM 903 CG PRO A1018 -4.062 -3.187 -1.326 1.00 0.00 C ATOM 904 CD PRO A1018 -3.171 -4.315 -1.768 1.00 0.00 C ATOM 0 HA PRO A1018 -5.352 -5.906 0.073 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -5.909 -3.209 -0.242 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -4.521 -3.724 0.696 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -4.629 -2.785 -2.166 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -3.476 -2.365 -0.914 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -2.902 -4.226 -2.820 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -2.240 -4.337 -1.201 1.00 0.00 H new ATOM 912 N ILE A1019 -7.561 -5.718 -0.952 1.00 0.00 N ATOM 913 CA ILE A1019 -8.852 -5.817 -1.624 1.00 0.00 C ATOM 914 C ILE A1019 -9.947 -5.163 -0.785 1.00 0.00 C ATOM 915 O ILE A1019 -9.758 -4.902 0.404 1.00 0.00 O ATOM 916 CB ILE A1019 -9.235 -7.287 -1.894 1.00 0.00 C ATOM 917 CG1 ILE A1019 -8.020 -8.071 -2.398 1.00 0.00 C ATOM 918 CG2 ILE A1019 -10.372 -7.362 -2.904 1.00 0.00 C ATOM 919 CD1 ILE A1019 -8.280 -9.552 -2.572 1.00 0.00 C ATOM 0 H ILE A1019 -7.577 -5.991 0.031 1.00 0.00 H new ATOM 0 HA ILE A1019 -8.760 -5.296 -2.577 1.00 0.00 H new ATOM 0 HB ILE A1019 -9.572 -7.735 -0.959 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -7.700 -7.653 -3.352 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -7.196 -7.936 -1.698 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -10.631 -8.405 -3.084 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -11.242 -6.835 -2.512 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -10.058 -6.899 -3.840 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -7.374 -10.041 -2.931 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -8.571 -9.985 -1.615 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -9.082 -9.698 -3.295 1.00 0.00 H new ATOM 931 N CYS A1020 -11.092 -4.902 -1.408 1.00 0.00 N ATOM 932 CA CYS A1020 -12.218 -4.286 -0.716 1.00 0.00 C ATOM 933 C CYS A1020 -13.309 -5.316 -0.435 1.00 0.00 C ATOM 934 O CYS A1020 -13.814 -5.965 -1.352 1.00 0.00 O ATOM 935 CB CYS A1020 -12.784 -3.133 -1.549 1.00 0.00 C ATOM 936 SG CYS A1020 -14.095 -2.182 -0.713 1.00 0.00 S ATOM 0 H CYS A1020 -11.264 -5.108 -2.392 1.00 0.00 H new ATOM 0 HA CYS A1020 -11.862 -3.893 0.236 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -11.971 -2.456 -1.812 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -13.180 -3.534 -2.482 1.00 0.00 H new ATOM 941 N GLN A1021 -13.652 -5.474 0.840 1.00 0.00 N ATOM 942 CA GLN A1021 -14.590 -6.510 1.262 1.00 0.00 C ATOM 943 C GLN A1021 -16.028 -6.069 1.011 1.00 0.00 C ATOM 944 O GLN A1021 -16.836 -6.829 0.477 1.00 0.00 O ATOM 945 CB GLN A1021 -14.387 -6.826 2.747 1.00 0.00 C ATOM 946 CG GLN A1021 -14.862 -8.212 3.158 1.00 0.00 C ATOM 947 CD GLN A1021 -16.367 -8.376 3.067 1.00 0.00 C ATOM 948 OE1 GLN A1021 -16.895 -8.816 2.046 1.00 0.00 O ATOM 949 NE2 GLN A1021 -17.066 -8.020 4.138 1.00 0.00 N ATOM 0 H GLN A1021 -13.294 -4.897 1.601 1.00 0.00 H new ATOM 0 HA GLN A1021 -14.399 -7.409 0.677 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -13.328 -6.731 2.986 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -14.916 -6.081 3.342 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -14.382 -8.957 2.523 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -14.542 -8.411 4.181 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -16.587 -7.660 4.963 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -18.082 -8.107 4.136 1.00 0.00 H new ATOM 958 N ARG A1022 -16.338 -4.836 1.403 1.00 0.00 N ATOM 959 CA ARG A1022 -17.683 -4.289 1.249 1.00 0.00 C ATOM 960 C ARG A1022 -18.688 -5.047 2.110 1.00 0.00 C ATOM 961 O ARG A1022 -18.974 -6.219 1.865 1.00 0.00 O ATOM 962 CB ARG A1022 -18.117 -4.327 -0.218 1.00 0.00 C ATOM 963 CG ARG A1022 -19.505 -3.752 -0.453 1.00 0.00 C ATOM 964 CD ARG A1022 -19.875 -3.770 -1.925 1.00 0.00 C ATOM 965 NE ARG A1022 -19.866 -5.122 -2.476 1.00 0.00 N ATOM 966 CZ ARG A1022 -20.074 -5.397 -3.760 1.00 0.00 C ATOM 967 NH1 ARG A1022 -20.307 -4.417 -4.624 1.00 0.00 N ATOM 968 NH2 ARG A1022 -20.048 -6.654 -4.183 1.00 0.00 N ATOM 0 H ARG A1022 -15.672 -4.194 1.832 1.00 0.00 H new ATOM 0 HA ARG A1022 -17.658 -3.252 1.583 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -17.396 -3.771 -0.817 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -18.095 -5.359 -0.569 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -20.238 -4.326 0.114 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -19.544 -2.729 -0.080 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -20.865 -3.332 -2.055 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -19.175 -3.147 -2.482 1.00 0.00 H new ATOM 0 HE ARG A1022 -19.690 -5.900 -1.840 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -20.327 -3.449 -4.304 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -20.466 -4.632 -5.608 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -19.868 -7.411 -3.523 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -20.208 -6.864 -5.168 1.00 0.00 H new ATOM 982 N ILE A1023 -19.219 -4.364 3.118 1.00 0.00 N ATOM 983 CA ILE A1023 -20.184 -4.958 4.025 1.00 0.00 C ATOM 984 C ILE A1023 -21.590 -4.415 3.769 1.00 0.00 C ATOM 985 O ILE A1023 -21.887 -3.267 4.097 1.00 0.00 O ATOM 986 CB ILE A1023 -19.800 -4.686 5.489 1.00 0.00 C ATOM 987 CG1 ILE A1023 -19.236 -3.270 5.641 1.00 0.00 C ATOM 988 CG2 ILE A1023 -18.797 -5.723 5.976 1.00 0.00 C ATOM 989 CD1 ILE A1023 -18.924 -2.889 7.072 1.00 0.00 C ATOM 0 H ILE A1023 -18.993 -3.391 3.325 1.00 0.00 H new ATOM 0 HA ILE A1023 -20.178 -6.033 3.843 1.00 0.00 H new ATOM 0 HB ILE A1023 -20.697 -4.763 6.104 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -18.327 -3.185 5.045 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -19.953 -2.557 5.233 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -18.535 -5.517 7.014 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -19.238 -6.717 5.904 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -17.899 -5.678 5.360 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -18.529 -1.874 7.100 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -19.834 -2.941 7.669 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -18.184 -3.578 7.479 1.00 0.00 H new ATOM 1001 N PRO A1024 -22.474 -5.236 3.175 1.00 0.00 N ATOM 1002 CA PRO A1024 -23.851 -4.827 2.871 1.00 0.00 C ATOM 1003 C PRO A1024 -24.683 -4.620 4.132 1.00 0.00 C ATOM 1004 O PRO A1024 -25.278 -5.606 4.617 1.00 0.00 O ATOM 1005 CB PRO A1024 -24.401 -5.995 2.050 1.00 0.00 C ATOM 1006 CG PRO A1024 -23.576 -7.168 2.456 1.00 0.00 C ATOM 1007 CD PRO A1024 -22.205 -6.624 2.751 1.00 0.00 C ATOM 1008 OXT PRO A1024 -24.734 -3.473 4.625 1.00 0.00 O ATOM 0 HA PRO A1024 -23.885 -3.872 2.347 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -25.457 -6.163 2.260 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -24.315 -5.802 0.981 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -23.999 -7.658 3.333 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -23.538 -7.913 1.661 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -21.706 -7.194 3.534 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -21.561 -6.658 1.872 1.00 0.00 H new